6N7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n7c by Molmil](/molmil-images/mine/6n7c) | Structure of the human JAK1 kinase domain with compound 56 | Descriptor: | GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n77 by Molmil](/molmil-images/mine/6n77) | Structure of the human JAK1 kinase domain with compound 15 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n7d by Molmil](/molmil-images/mine/6n7d) | Structure of the human JAK1 kinase domain with compound 54 | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6NW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nw2 by Molmil](/molmil-images/mine/6nw2) | Structure of human RIPK1 kinase domain in complex with compound 11 | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2019-02-05 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group. Bioorg.Med.Chem.Lett., 29, 2019
|
|
5T8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t8f by Molmil](/molmil-images/mine/5t8f) | p110delta/p85alpha with taselisib (GDC-0032) | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | Deposit date: | 2016-09-07 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
|
|
5T8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t8o by Molmil](/molmil-images/mine/5t8o) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
|
|
5T8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t8p by Molmil](/molmil-images/mine/5t8p) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | Descriptor: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P.A. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
|
|
4MC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc7 by Molmil](/molmil-images/mine/4mc7) | Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | New world bats harbor diverse influenza a viruses. Plos Pathog., 9, 2013
|
|
5T8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t8q by Molmil](/molmil-images/mine/5t8q) | |
4MC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc5 by Molmil](/molmil-images/mine/4mc5) | Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | New world bats harbor diverse influenza a viruses. Plos Pathog., 9, 2013
|
|
1DEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dex by Molmil](/molmil-images/mine/1dex) | RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RHAMNOGALACTURONAN ACETYLESTERASE, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Molgaard, A, Kauppinen, S, Larsen, S. | Deposit date: | 1999-11-16 | Release date: | 2000-04-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rhamnogalacturonan acetylesterase elucidates the structure and function of a new family of hydrolases. Structure Fold.Des., 8, 2000
|
|
1DEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1deo by Molmil](/molmil-images/mine/1deo) | RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.55 A RESOLUTION WITH SO4 IN THE ACTIVE SITE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RHAMNOGALACTURONAN ACETYLESTERASE, SULFATE ION, ... | Authors: | Molgaard, A, Kauppinen, S, Larsen, S. | Deposit date: | 1999-11-15 | Release date: | 2000-04-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rhamnogalacturonan acetylesterase elucidates the structure and function of a new family of hydrolases. Structure Fold.Des., 8, 2000
|
|
4K3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k3x by Molmil](/molmil-images/mine/4k3x) | |
4K6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k6z by Molmil](/molmil-images/mine/4k6z) | The Jak1 kinase domain in complex with compound 37 | Descriptor: | (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile, Tyrosine-protein kinase JAK1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2013-04-16 | Release date: | 2013-10-02 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k77 by Molmil](/molmil-images/mine/4k77) | JAK1 kinase (JH1 domain) in complex with compound 6 | Descriptor: | 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-04-16 | Release date: | 2013-10-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k3y by Molmil](/molmil-images/mine/4k3y) | |
1HRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hrp by Molmil](/molmil-images/mine/1hrp) | CRYSTAL STRUCTURE OF HUMAN CHORIONIC GONADOTROPIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN CHORIONIC GONADOTROPIN | Authors: | Lapthorn, A.J, Harris, D.C, Isaacs, N.W. | Deposit date: | 1994-08-15 | Release date: | 1994-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human chorionic gonadotropin. Nature, 369, 1994
|
|
1QFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qfw by Molmil](/molmil-images/mine/1qfw) | TERNARY COMPLEX OF HUMAN CHORIONIC GONADOTROPIN WITH FV ANTI ALPHA SUBUNIT AND FV ANTI BETA SUBUNIT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (ANTI ALPHA SUBUNIT) (HEAVY CHAIN), ANTIBODY (ANTI ALPHA SUBUNIT) (LIGHT CHAIN), ... | Authors: | Tegoni, M, Spinelli, S, Cambillau, C. | Deposit date: | 1999-04-15 | Release date: | 2000-04-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of a ternary complex between human chorionic gonadotropin (hCG) and two Fv fragments specific for the alpha and beta-subunits. J.Mol.Biol., 289, 1999
|
|
1UHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uhb by Molmil](/molmil-images/mine/1uhb) | Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 A resolution | Descriptor: | 9-mer peptide from Trypsin, ACETATE ION, CALCIUM ION, ... | Authors: | Pattabhi, V, Syed Ibrahim, B, Shamaladevi, N. | Deposit date: | 2003-06-27 | Release date: | 2004-07-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Trypsin activity reduced by an autocatalytically produced nonapeptide. J.Biomol.Struct.Dyn., 21, 2004
|
|